SEQ2FUN

BioLiP

PDB CCD ID: 6AP
Number of entries in BioLiP: 1
Chemical formula: C5 H6 N6
InChI: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(c2ncnc2nc1N)N
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)N
CACTVS 3.341Nc1nc(N)c2nc[nH]c2n1
Name:9H-PURINE-2,6-DIAMINE;
2,6-DIAMINOPURINE
ChEMBL: CHEMBL388596
ZINC: ZINC000007486121
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).